#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/80/1538041.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1538041 loop_ _publ_author_name 'Haegg, G.' _publ_section_title ; Tantalum sulfide ; _journal_name_full 'Arkiv foer Kemi' _journal_page_first 40 _journal_page_last 40 _journal_volume 7 _journal_year 1954 _chemical_formula_sum 'S2 Ta' _chemical_name_systematic 'Ta S2' _space_group_IT_number 166 _symmetry_space_group_name_Hall '-P 3* 2' _symmetry_space_group_name_H-M 'R -3 m :R' _cell_angle_alpha 30.18 _cell_angle_beta 30.18 _cell_angle_gamma 30.18 _cell_formula_units_Z 1 _cell_length_a 6.39 _cell_length_b 6.39 _cell_length_c 6.39 _cell_volume 58.424 _citation_journal_id_ASTM ARKEAD _cod_data_source_file Haegg_ARKEAD_1954_1768.cif _cod_data_source_block S2Ta1 _cod_original_cell_volume 58.42448 _cod_original_sg_symbol_Hall '-R 3 2" (-y+z,x+z,-x+y+z)' _cod_original_formula_sum 'S2 Ta1' _cod_database_code 1538041 loop_ _symmetry_equiv_pos_as_xyz x,y,z z,x,y y,z,x -y,-x,-z -z,-y,-x -x,-z,-y -x,-y,-z -z,-x,-y -y,-z,-x y,x,z z,y,x x,z,y loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv S1 S-2 0.25 0.25 0.25 1 0.0 Ta1 Ta+4 0 0 0 1 0.0